English
Related papers

Related papers: TorchMD-NET: Equivariant Transformers for Neural N…

200 papers

We present a Machine Learning approach to solve electronic quantum transport equations of one-dimensional nanostructures. The transmission coefficients of disordered systems were computed to provide training and test datasets to the…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Alejandro Lopez-Bezanilla , O. Anatole von Lilienfeld

The \textit{Temporal Fusion Transformer} (TFT), proposed by Lim \textit{et al.}, published in \textit{International Journal of Forecasting} (2021), is a state-of-the-art attention-based deep neural network architecture specifically designed…

Machine Learning · Computer Science 2025-10-27 Krishnakanta Barik , Goutam Paul

The transformer architecture has demonstrated remarkable capabilities in modern artificial intelligence, among which the capability of implicitly learning an internal model during inference time is widely believed to play a key role in the…

Machine Learning · Computer Science 2026-02-10 Zhiheng Chen , Ruofan Wu , Guanhua Fang

We present a novel hybrid quantum-classical vision transformer architecture incorporating quantum orthogonal neural networks (QONNs) to enhance performance and computational efficiency in high-energy physics applications. Building on…

Atomistic machine learning (ML) is a powerful tool for accurate and efficient investigation of material behavior at the atomic scale. While such models have been constructed within Cartesian space to harness geometric information and…

Materials Science · Physics 2026-04-29 Qun Chen , A. S. L. Subrahmanyam Pattamatta , Boyu Wang , David J. Srolovitz , Mingjian Wen

In this paper we present a framework for the design and implementation of offset equivariant networks, that is, neural networks that preserve in their output uniform increments in the input. In a suitable color space this kind of networks…

Computer Vision and Pattern Recognition · Computer Science 2022-07-06 Marco Cotogni , Claudio Cusano

Neural-network-based machine learning interatomic potentials have emerged as powerful tools for predicting atomic energies and forces, enabling accurate and efficient simulations in atomistic modeling. A key limitation of traditional deep…

Chemical Physics · Physics 2025-09-24 Riccardo Farris , Emanuele Telari , Nongnuch Artrith , Konstantin Neyman , Albert Bruix

Variational quantum circuits (VQCs) hold promise for quantum machine learning but face challenges in expressivity, trainability, and noise resilience. We propose VQC-MLPNet, a hybrid architecture where a VQC generates the first-layer…

Quantum Physics · Physics 2025-11-06 Jun Qi , Chao-Han Yang , Pin-Yu Chen , Min-Hsiu Hsieh

The development of quantum technologies relies on creating and manipulating quantum systems of increasing complexity, with key applications in computation, simulation, and sensing. This poses severe challenges in efficient control,…

Quantum Physics · Physics 2025-09-09 Hailan Ma , Bo Qi , Ian R. Petersen , Re-Bing Wu , Herschel Rabitz , Daoyi Dong

Machine learning (ML) methods such as artificial neural networks are rapidly becoming ubiquitous in modern science, technology and industry. Despite their accuracy and sophistication, neural networks can be easily fooled by carefully…

Error correction codes (ECC) are crucial for ensuring reliable information transmission in communication systems. Choukroun & Wolf (2022b) recently introduced the Error Correction Code Transformer (ECCT), which has demonstrated promising…

Machine Learning · Computer Science 2024-10-10 Matan Levy , Yoni Choukroun , Lior Wolf

The rapid data surge from the high-luminosity Large Hadron Collider introduces critical computational challenges requiring novel approaches for efficient data processing in particle physics. Quantum machine learning, with its capability to…

Machine Learning · Computer Science 2025-04-29 Md Abrar Jahin , Md. Akmol Masud , Md Wahiduzzaman Suva , M. F. Mridha , Nilanjan Dey

In recent years, deep neural networks have showcased their predictive power across a variety of tasks. Beyond natural language processing, the transformer architecture has proven efficient in addressing tabular data problems and challenges…

Machine Learning · Computer Science 2025-04-14 Anton Thielmann , Arik Reuter , Benjamin Saefken

Message-passing neural networks (MPNN) have shown extremely high efficiency and accuracy in predicting the physical properties of molecules and crystals, and are expected to become the next-generation material simulation tool after the…

Materials Science · Physics 2022-01-19 Yang Zhong , Hongyu Yu , Xingao Gong , Hongjun Xiang

Transformers are a type of neural network that have demonstrated remarkable performance across various domains, particularly in natural language processing tasks. Motivated by this success, research on the theoretical understanding of…

Machine Learning · Computer Science 2025-02-18 Naoki Takeshita , Masaaki Imaizumi

Multimodal learning aims to enhance perceptual and decision-making capabilities by integrating information from diverse sources. However, classical deep learning approaches face a critical trade-off between the high accuracy of black-box…

Quantum Physics · Physics 2026-01-14 Yu Wu , Qianli Zhou , Jie Geng , Xinyang Deng , Wen Jiang

Although convolutional networks (ConvNets) have enjoyed great success in computer vision (CV), it suffers from capturing global information crucial to dense prediction tasks such as object detection and segmentation. In this work, we…

Computer Vision and Pattern Recognition · Computer Science 2021-05-12 Haotian Yan , Zhe Li , Weijian Li , Changhu Wang , Ming Wu , Chuang Zhang

Forecasting demand for assets and services can be addressed in various markets, providing a competitive advantage when the predictive models used demonstrate high accuracy. However, the training of machine learning models incurs high…

We propose Cormorant, a rotationally covariant neural network architecture for learning the behavior and properties of complex many-body physical systems. We apply these networks to molecular systems with two goals: learning atomic…

Computational Physics · Physics 2019-11-27 Brandon Anderson , Truong-Son Hy , Risi Kondor

Neural networks are computing models that have been leading progress in Machine Learning (ML) and Artificial Intelligence (AI) applications. In parallel, the first small scale quantum computing devices have become available in recent years,…

Quantum Physics · Physics 2021-05-21 Stefano Mangini , Francesco Tacchino , Dario Gerace , Daniele Bajoni , Chiara Macchiavello